5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol

C37H56O6 — CID 139762112

IUPAC5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol
SMILESCc1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(C)c(O)cc2C(C)(C)C)OC3)c(C(C)(C)C)cc1O
InChIInChI=1S/C37H56O6/c1-23-13-25(27(15-29(23)38)33(3,4)5)17-35(9,10)31-40-19-37(20-41-31)21-42-32(43-22-37)36(11,12)18-26-14-24(2)30(39)16-28(26)34(6,7)8/h13-16,31-32,38-39H,17-22H2,1-12H3
InChIKeyYYTJPENBHRGXPM-UHFFFAOYSA-N
MW596.85 g/mol
LogP7.88
Rot. Bonds6

About 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol

5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol (PubChem CID 139762112) has the molecular formula C37H56O6 and a molecular weight of 596.85 g/mol. Its IUPAC name is 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol.

Molecular Properties

Compound Name5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol
PubChem CID139762112
Molecular FormulaC37H56O6
Molecular Weight596.85 g/mol
Exact Mass596.41
IUPAC Name5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol
SMILESCc1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(C)c(O)cc2C(C)(C)C)OC3)c(C(C)(C)C)cc1O
InChIInChI=1S/C37H56O6/c1-23-13-25(27(15-29(23)38)33(3,4)5)17-35(9,10)31-40-19-37(20-41-31)21-42-32(43-22-37)36(11,12)18-26-14-24(2)30(39)16-28(26)34(6,7)8/h13-16,31-32,38-39H,17-22H2,1-12H3
InChIKeyYYTJPENBHRGXPM-UHFFFAOYSA-N
XLogP7.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.85
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol with MolForge

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Related Compounds

[2-[3-[1-[3-(2-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(2-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 70223273
2-tert-butyl-4-[2-[3-[1-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-ethylphenol
CID 139762151
5-tert-butyl-4-ethyl-2-methylphenol
CID 142192089
2-butan-2-yl-4-[2-[3-[1-(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-6-tert-butylphenol
CID 139762124
2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol
CID 139762092
[2-[3-[1-[3-(4-hydroxy-3-methylphenyl)-4,4-dimethylpentanoyl]oxy-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(4-hydroxy-3-methylphenyl)-4,4-dimethylpentanoate
CID 141250707
(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl 4-[3-[1-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-4-methylpentanoate
CID 20612928
4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
CID 142267166
[2-[3-[1-[3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[3-tert-butyl-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate
CID 118136778
[2-[3-[1-[3-[3-tert-butyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[3-tert-butyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate
CID 139646374
[2-[3-[1-[3-(3-tert-butyl-5-methyl-4-prop-2-enoyloxyphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 59595674
2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol
CID 139762133

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol?
The IUPAC name of 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol (CID 139762112) is 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol.
What is the SMILES notation for 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol?
The canonical SMILES for 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol is Cc1cc(CC(C)(C)C2OCC3(CO2)COC(C(C)(C)Cc2cc(C)c(O)cc2C(C)(C)C)OC3)c(C(C)(C)C)cc1O.
What is the InChIKey of 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol?
The InChIKey is YYTJPENBHRGXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56O6/c1-23-13-25(27(15-29(23)38)33(3,4)5)17-35(9,10)31-40-19-37(20-41-31)21-42-32(43-22-37)36(11,12)18-26-14-24(2)30(39)16-28(26)34(6,7)8/h13-16,31-32,38-39H,17-22H2,1-12H3.
What are the key properties of 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol?
5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol has a molecular weight of 596.85 g/mol, XLogP of 7.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[2-[3-[1-(2-tert-butyl-4-hydroxy-5-methylphenyl)-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl]-2-methylphenol is sourced from PubChem (CID 139762112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).